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BioLiP Library

PDB CCD ID: AO
Number of entries in BioLiP: 8
Chemical formula: C17 H20 N3
InChI: InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3/p+1
InChIKey: DPKHZNPWBDQZCN-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 2.87
OpenEye OEToolkits 1.5.0		CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C
Name:ACRIDINE ORANGE
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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